CID 204931
Phenetole, beta,beta'-sulfonyldi-
Structural Information
- Molecular Formula
- C16H18O4S
- SMILES
- C1=CC=C(C=C1)OCCS(=O)(=O)CCOC2=CC=CC=C2
- InChI
- InChI=1S/C16H18O4S/c17-21(18,13-11-19-15-7-3-1-4-8-15)14-12-20-16-9-5-2-6-10-16/h1-10H,11-14H2
- InChIKey
- KRECTRBDPHNKRQ-UHFFFAOYSA-N
- Compound name
- 2-(2-phenoxyethylsulfonyl)ethoxybenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.09988 | 169.8 |
[M+Na]+ | 329.08182 | 176.3 |
[M-H]- | 305.08532 | 176.1 |
[M+NH4]+ | 324.12642 | 184.6 |
[M+K]+ | 345.05576 | 172.4 |
[M+H-H2O]+ | 289.08986 | 161.9 |
[M+HCOO]- | 351.09080 | 188.1 |
[M+CH3COO]- | 365.10645 | 198.7 |
[M+Na-2H]- | 327.06727 | 174.6 |
[M]+ | 306.09205 | 175.4 |
[M]- | 306.09315 | 175.4 |
Literature stripe
No literature data available for this compound.